Molecule

ID:19206

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-2-9-4-3-7(5-8)6-9/h7H,2-6,8H2,1H3
InChIKey
NKJWMNYRBVKMJY-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(C1)CC
Isomeric Smiles
N1(CC(CC1)CN)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.4253826
LogD (pH = 7.4)
-4.516476
Log P
-0.18425597
Molar Refractivity
40.2367
Polarizability
15.965017
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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